For research use only. Not for therapeutic Use.
Allitinib, also known as AST1306 and ALS 1306, is a potent, selective, irreversible ErbB2 and EGFR inhibitor. AST-1306 inhibits the enzymatic activities of wild-type epidermal growth factor receptor (EGFR) and ErbB2 as well as EGFR resistant mutant in both cell-free and cell-based systems. AST1306 was found to function as an irreversible inhibitor, most likely through covalent interaction with Cys797 and Cys805 in the catalytic domains of EGFR and ErbB2, respectively. In vivo, AST1306 potently suppressed tumor growth in ErbB2-overexpressing adenocarcinoma xenograft and FVB-2/N(neu) transgenic breast cancer mouse models, but weakly inhibited the growth of EGFR-overexpressing tumor xenografts.
| Catalog Number | I001767 |
| CAS Number | 897383-62-9 (free base) |
| Synonyms | AST1306; AST-1306; AST 1306; ALS1306; ALS-1306; ALS1306; AST 6; AST-6; AST6. Allitinib;N-[4-[[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]acrylamide |
| Molecular Formula | C24H18ClFN4O2 |
| Purity | ≥95% |
| Target | ErbB2 and EGFR inhibitor |
| Solubility | Soluble in DMSO, not in water |
| Storage | 0 - 4°Cfor short term (days to weeks), or -20 °C for long term (months). |
| InChI | InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30) |
| InChIKey | MVZGYPSXNDCANY-UHFFFAOYSA-N |
| SMILES | C=CC(NC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1)=O |
| Reference | </br>1:Cytotoxicity of allitinib, an irreversible anti-EGFR agent, in a large panel of human cancer-derived cell lines: KRAS mutation status as a predictive biomarker. Silva-Oliveira RJ, Silva VA, Martinho O, Cruvinel-Carloni A, Melendez ME, Rosa MN, de Paula FE, de Souza Viana L, Carvalho AL, Reis RM.Cell Oncol (Dordr). 2016 Jun;39(3):253-63. doi: 10.1007/s13402-016-0270-z. Epub 2016 Feb 26. PMID: 26920031 </br>2:Metabolism and pharmacokinetics of allitinib in cancer patients: the roles of cytochrome P450s and epoxide hydrolase in its biotransformation. Lin L, Xie C, Gao Z, Chen X, Zhong D.Drug Metab Dispos. 2014 May;42(5):872-84. doi: 10.1124/dmd.113.056341. Epub 2014 Mar 5. PMID: 24598282 Free Article</br>3:Development and validation of a sensitive LC-MS/MS assay for the simultaneous quantification of allitinib and its two metabolites in human plasma. Lin L, Gao Z, Chen X, Zhong D.J Pharm Biomed Anal. 2013 Dec;86:49-55. doi: 10.1016/j.jpba.2013.07.003. Epub 2013 Jul 19. PMID: 23973791 |
